4,6,6-trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile | 16268-25-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4,6,6-trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
• 英文别名: 4,6,6-trimethyl-2-oxo-1,2,5,6-tetrahydro-pyridine-3-carbonitrile；4,6,6-Trimethyl-2-oxo-1,2,5,6-tetrahydro-pyridin-3-carbonitril；2,2,4-trimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
• CAS: 16268-25-0
• 化学式: C₉H₁₂N₂O
• 分子量: 164.207
• InChiKey: SCQOFMGAFNWKPH-UHFFFAOYSA-N

物化性质

• 熔点：
  194-195 °C(Solv: ethanol (64-17-5))
• 沸点：
  339.9±42.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,6,6-trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile 在 硫酸 、 水 作用下， 生成 5,6-dihydro-4,6,6-trimethyl-2(1H)-pyridinone
  参考文献：
  名称：

  Sterically Hindered Phenolic Buffers. Application to Determination of Rates of Amidation of Ethyl Chloroformate¹

  摘要：

  DOI：

  10.1021/ja01577a029
• 作为产物：
  描述：

  4-甲基-3戊烯-2-酮 在 氨 作用下， 生成 4,6,6-trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
  参考文献：
  名称：

  Guareschi, Atti della Accademia delle Scienze di Torino, Classe di Scienze Fisiche, Matematiche e Naturali, vol. 28, p. 333

  摘要：

  DOI：

文献信息

• 고리형 결합기를 포함하는 신규한 안트라센 블루 리간드 유도체
  申请人：DONGJIN SEMICHEM CO., LTD. 주식회사 동진쎄미켐(119981067679) Corp. No ▼ 120111-0003848BRN ▼137-81-07814

  公开号：KR20150052789A

  公开（公告）日：2015-05-14

  본 발명은 고리형 결합기(cyclic anchoring group)를 포함하는 신규한 안트라센 블루 리간드 유도체에 관한 것으로, 본 발명의 신규한 화합물은 블루 리간드 말단에 고리형 결합기를 치환함으로써 리간드와 코어/쉘 구조체와의 안정성 및 결합력을 향상시켜 전자전달 효율이 우수할 뿐 아니라, 양자점과 결합시 별도의 다른 청색, 녹색 및 적색 양자점의 필요 없이, 한 가지 양자점으로 백색 발광을 실현할 수 있으므로 발광소자의 수명 향상에 기여할 수 있다.

  本发明涉及一种包含环状锚定基团的新型蒽蓝配体衍生物，通过在蓝色配体末端取代环状锚定基团，提高配体与核/壳结构的稳定性和结合力，从而提高电子传递效率。此外，与量子点结合时，不需要额外的其他蓝色、绿色和红色量子点，只需要一个量子点即可实现白色发光，从而有助于提高发光元件的寿命。
• Guareschi; Grande, Chemisches Zentralblatt, 1899, vol. 70, # II, p. 440
  作者：Guareschi、Grande

  DOI：——

  日期：——
• N-3-oxoalkylamides and-thioamides in synthesis of heterocyclic compounds. 3. Study of cyclization of N-3-oxoalkylthioamides into 5,6-dihydropyridine-2(1H)-thiones
  作者：A. S. Fisyuk、M. A. Vorontsova

  DOI：10.1007/bf02290614

  日期：1998.1
• Synthesis and cytotoxicity of phenyl-vinyl derivatives of 4,6,6-trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
  作者：E. Lukevics、D. Jansone、L. Leite、J. Popelis、G. Andreeva、I. Shestakova、I. Domracheva、V. Bridane、I. Kanepe

  DOI：10.1007/s10593-010-0411-7

  日期：2009.10

  A series of phenylvinyl derivatives of 4,6,6-trimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitriles has been synthesized and their cytotoxic activity towards HT-1080 (human fibrosarcoma) and MG 22A (mouse hepatoma) tumor cells studied. It was found that the 2-nitro-, 2- and 3-chloro, 2-fluoro, and 2-bromophenyl derivatives showed high cytotoxic activity towards both cell lines. The toxicity towards NIH 3T3 normal mouse embryonic fibroblasts depends on the nature and position of the substituent in the phenyl ring. The greatest selectivity of cytotoxic effect was seen in the 2-bromophenyl derivative.
• Piccinini, Atti della Accademia delle Scienze di Torino, Classe di Scienze Fisiche, Matematiche e Naturali, 1907, vol. 43, p. 550,555
  作者：Piccinini

  DOI：——

  日期：——